C151-0782 Screening compound: (2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

C151-0782 Screening compound: (2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one
C151-0782 Screening compound: (2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0782
(2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C151-0782

Molecular Formula

C38H46O5 (C38 H46 O5)

Compound Name

(2Z,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

IUPAC name

(2Z6E)-26-bis[(4-butoxy-3-ethoxyphenyl)methylidene]-4-phenylcyclohexan-1-one

SMILES

CCCCOc(ccc(/C=C(\CC(C/C1=C/c(cc2)cc(OCC)c2OCCCC)c2ccccc2)/C1=O)c1)c1OCC

InChI

InChI=1S/C38H46O5/c1-5-9-20-42-34-18-16-28(24-36(34)40-7-3)22-32-26-31(30-14-12-11-13-15-30)27-33(38(32)39)23-29-17-19-35(43-21-10-6-2)37(25-29)41-8-4/h11-19,22-25,31H,5-10,20-21,26-27H2,1-4H3

InChI Key

MZYUWZLWIYETAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.124

Distribution Coefficient, logD

9.124

Water Solubility, LogSw

-5.71

Polar Surface Area

42.192

Acid Dissociation Constant (pKa)

23.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.50

C151-0782 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C151-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0782?
Check Price and Availability of C151-0782, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C151-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0782
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C151-0782 available by request